4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline

C25H28ClFN4 — CID 145292147

IUPAC4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline
SMILESC=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c(F)c(-c4cc[nH]c4)nc3c2)CC1
InChIInChI=1S/C25H28ClFN4/c1-4-5-6-17(2)30-11-13-31(14-12-30)18(3)19-7-8-21-22(15-19)29-25(24(27)23(21)26)20-9-10-28-16-20/h7-10,15-16,28H,2-6,11-14H2,1H3
InChIKeyNBZRXBBZSCRXTN-UHFFFAOYSA-N
MW438.98 g/mol
LogP6.31
Rot. Bonds7

About 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline

4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline (PubChem CID 145292147) has the molecular formula C25H28ClFN4 and a molecular weight of 438.98 g/mol. Its IUPAC name is 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline.

Molecular Properties

Compound Name4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline
PubChem CID145292147
Molecular FormulaC25H28ClFN4
Molecular Weight438.98 g/mol
Exact Mass438.20
IUPAC Name4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline
SMILESC=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c(F)c(-c4cc[nH]c4)nc3c2)CC1
InChIInChI=1S/C25H28ClFN4/c1-4-5-6-17(2)30-11-13-31(14-12-30)18(3)19-7-8-21-22(15-19)29-25(24(27)23(21)26)20-9-10-28-16-20/h7-10,15-16,28H,2-6,11-14H2,1H3
InChIKeyNBZRXBBZSCRXTN-UHFFFAOYSA-N
XLogP6.31
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline?
The IUPAC name of 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline (CID 145292147) is 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline.
What is the SMILES notation for 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline?
The canonical SMILES for 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline is C=C(CCCC)N1CCN(C(=C)c2ccc3c(Cl)c(F)c(-c4cc[nH]c4)nc3c2)CC1.
What is the InChIKey of 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline?
The InChIKey is NBZRXBBZSCRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4/c1-4-5-6-17(2)30-11-13-31(14-12-30)18(3)19-7-8-21-22(15-19)29-25(24(27)23(21)26)20-9-10-28-16-20/h7-10,15-16,28H,2-6,11-14H2,1H3.
What are the key properties of 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline?
4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline has a molecular weight of 438.98 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-7-[1-(4-hex-1-en-2-ylpiperazin-1-yl)ethenyl]-2-(1H-pyrrol-3-yl)quinoline is sourced from PubChem (CID 145292147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).